#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1q7i s LYS 2 N 0.00 3.13 -0.78 1.61 -2.85 -1.26 -4.99 119.74 114.60 1q7i s LYS 2 Ca 0.00 0.43 0.01 0.00 -1.00 0.00 0.00 55.97 55.41 1q7i s LYS 2 Cb 0.00 -2.11 0.35 0.00 -2.06 0.00 0.00 37.83 34.01 1q7i s LYS 2 CO 0.00 -0.78 1.60 -0.85 0.10 0.00 0.00 175.35 175.42 1q7i n GLU 3 N -2.80 3.81 -3.70 1.78 0.00 -1.26 -4.89 120.64 113.59 1q7i n GLU 3 Ca 0.06 -4.31 -0.30 0.00 0.00 0.00 0.00 57.16 52.61 1q7i n GLU 3 Cb 0.56 -2.32 -0.13 0.00 0.00 0.00 0.00 31.44 29.54 1q7i n GLU 3 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1q7i n ASP 5 N 3.91 0.00 -4.29 0.00 2.03 0.60 -4.74 116.55 114.05 1q7i n ASP 5 Ca 0.06 -0.24 -0.16 0.00 0.52 0.00 0.00 54.79 54.98 1q7i n ASP 5 Cb 0.37 -0.15 -0.10 0.00 -0.72 0.00 0.00 41.12 40.51 1q7i n ASP 5 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1q7i n SER 7 N -0.35 2.28 -4.31 0.00 3.41 -1.26 -4.95 113.62 108.45 1q7i n SER 7 Ca -0.05 -0.25 -0.33 0.00 -0.26 0.00 0.00 58.87 57.99 1q7i n SER 7 Cb 0.64 1.19 -0.15 0.00 -0.26 0.00 0.00 64.21 65.62 1q7i n SER 7 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1q7i s SER 8 N -2.33 3.68 0.00 4.04 0.15 -1.26 -4.98 113.70 113.00 1q7i s SER 8 Ca -0.01 -0.42 0.01 0.00 0.70 0.00 0.00 55.95 56.24 1q7i s SER 8 Cb 0.04 -1.54 0.09 0.00 -1.71 0.00 0.00 66.02 62.90 1q7i s SER 8 CO 0.27 0.15 1.05 -0.81 1.20 0.00 0.00 173.24 175.10 1q7i n PRO 9 N 3.62 0.99 -0.00 5.44 -0.04 -1.26 -3.11 135.00 140.64 1q7i n PRO 9 Ca -0.19 0.00 0.01 0.00 -0.04 0.00 0.00 63.50 63.29 1q7i n PRO 9 Cb 0.53 -1.02 -0.01 0.00 -0.04 0.00 0.00 33.50 32.95 1q7i n PRO 9 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1q7i n GLU 10 N -0.52 4.76 -1.36 0.54 -0.58 -1.26 -4.66 120.64 117.56 1q7i n GLU 10 Ca 0.01 -0.01 -0.35 0.00 -0.42 0.00 0.00 57.16 56.40 1q7i n GLU 10 Cb 0.01 -0.71 0.10 0.00 -0.57 0.00 0.00 31.44 30.27 1q7i n GLU 10 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 1q7i n ASN 11 N -1.18 1.45 0.15 1.62 5.15 -1.18 -4.91 115.26 116.36 1q7i n ASN 11 Ca 0.00 0.68 0.03 0.00 -0.60 0.00 0.00 54.58 54.70 1q7i n ASN 11 Cb 0.04 -1.53 0.12 0.00 -0.53 0.00 0.00 39.78 37.88 1q7i n ASN 11 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 1q7i h PRO 12 N -0.33 0.00 -0.64 1.20 0.13 -1.96 -3.09 132.00 127.31 1q7i h PRO 12 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1q7i h PRO 12 Cb 1.32 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.45 1q7i h PRO 12 CO 0.49 0.48 0.00 0.00 -0.23 0.00 0.00 178.00 178.74 1q7i s ASP 15 N -3.07 4.03 0.61 0.00 2.15 0.26 -3.49 116.67 117.16 1q7i s ASP 15 Ca 0.26 -1.59 0.40 0.00 0.43 0.00 0.00 52.55 52.04 1q7i s ASP 15 Cb -0.07 -1.02 1.97 0.00 -0.30 0.00 0.00 42.92 43.50 1q7i s ASP 15 CO 0.14 -0.37 2.19 0.00 -0.17 0.00 0.00 175.17 176.96 1q7i h ALA 16 N 8.00 1.00 -0.00 3.66 0.00 -1.83 1.00 119.26 131.09 1q7i h ALA 16 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1q7i h ALA 16 Cb 1.03 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.82 1q7i h ALA 16 CO 0.46 0.00 0.03 0.00 0.00 0.00 0.00 179.25 179.74 1q7i h ALA 17 N 2.00 1.07 0.00 0.00 0.00 -1.93 -3.21 119.26 117.20 1q7i h ALA 17 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1q7i h ALA 17 Cb 0.21 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1q7i h ALA 17 CO 0.00 -0.03 -0.07 -2.37 0.00 0.00 0.00 179.25 176.77 1q7i n THR 18 N -3.12 0.00 -0.81 0.00 5.66 -0.60 -4.98 114.28 110.44 1q7i n THR 18 Ca -0.03 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.97 1q7i n THR 18 Cb 0.10 0.20 0.00 0.00 -1.55 0.00 0.00 70.33 69.08 1q7i n THR 18 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1q7i s LYS 20 N -1.25 2.36 0.04 0.00 1.02 -0.93 -0.30 119.74 120.69 1q7i s LYS 20 Ca 0.00 -1.47 -0.34 0.00 0.02 0.00 0.00 55.97 54.18 1q7i s LYS 20 Cb 0.00 -2.18 -0.18 0.00 -0.52 0.00 0.00 37.83 34.95 1q7i s LYS 20 CO 0.00 0.24 0.87 1.28 -0.92 0.00 0.00 175.35 176.82 1q7i n LEU 21 N -1.03 -0.28 0.01 3.17 4.77 -1.26 0.92 117.00 123.31 1q7i n LEU 21 Ca -0.05 1.07 -0.20 0.00 -0.03 0.00 0.00 56.01 56.80 1q7i n LEU 21 Cb 0.60 -0.86 -0.14 0.00 -2.33 0.00 0.00 43.42 40.69 1q7i n LEU 21 CO 0.42 -2.00 -0.11 -0.09 -1.33 0.00 0.00 177.39 174.28 1q7i h ARG 22 N 2.33 0.23 0.00 3.23 1.12 -1.55 -3.39 114.38 116.35 1q7i h ARG 22 Ca -0.42 -0.40 0.00 0.00 -1.11 0.00 0.00 59.98 58.05 1q7i h ARG 22 Cb 1.32 0.15 0.00 0.00 -0.01 0.00 0.00 29.97 31.43 1q7i h ARG 22 CO 0.58 1.19 0.00 -0.35 -3.11 0.00 0.00 179.97 178.28 1q7i n PRO 23 N -4.13 0.97 -0.54 0.20 -0.04 -1.26 -4.94 135.00 125.25 1q7i n PRO 23 Ca -0.18 0.00 0.09 0.00 -0.04 0.00 0.00 63.50 63.37 1q7i n PRO 23 Cb 0.80 0.00 0.33 0.00 -0.04 0.00 0.00 33.50 34.60 1q7i n PRO 23 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1q7i n GLY 24 N 5.00 2.48 3.60 0.55 0.00 -1.26 -4.97 105.19 110.59 1q7i n GLY 24 Ca 0.00 -0.79 -0.30 0.00 0.00 0.00 0.00 46.02 44.93 1q7i n GLY 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1q7i s ALA 25 N -1.70 0.71 -0.90 4.61 0.00 -1.26 -4.91 121.76 118.30 1q7i s ALA 25 Ca 0.48 0.29 0.25 0.00 0.00 0.00 0.00 51.96 52.98 1q7i s ALA 25 Cb 0.30 -3.36 0.48 0.00 0.00 0.00 0.00 23.12 20.53 1q7i s ALA 25 CO 0.25 -3.18 1.40 1.04 0.00 0.00 0.00 175.76 175.27 1q7i n GLN 26 N -4.49 0.08 -3.57 0.00 3.00 -1.22 -4.94 117.38 106.24 1q7i n GLN 26 Ca 0.08 0.02 -0.08 0.00 -0.01 0.00 0.00 57.00 57.01 1q7i n GLN 26 Cb 0.53 -1.55 -0.04 0.00 0.00 0.00 0.00 30.24 29.19 1q7i n GLN 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1q7i n GLY 28 N 0.33 -0.77 0.00 0.00 0.00 -1.25 -4.00 105.19 99.50 1q7i n GLY 28 Ca -0.06 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.47 1q7i n GLY 28 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1q7i n GLU 29 N -1.70 0.00 0.00 1.61 -0.00 -1.26 -4.85 120.64 114.44 1q7i n GLU 29 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.17 1q7i n GLU 29 Cb 0.36 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 31.80 1q7i n GLU 29 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1q7i n GLY 30 N -0.01 0.19 0.17 -1.84 0.00 -1.26 -4.88 105.19 97.57 1q7i n GLY 30 Ca 0.00 -0.85 -0.15 0.00 0.00 0.00 0.00 46.02 45.02 1q7i n GLY 30 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1q7i h LEU 31 N 0.00 0.62 -5.34 0.99 -0.00 -0.23 -3.27 115.31 108.08 1q7i h LEU 31 Ca 0.00 -0.61 -0.77 0.00 -0.00 0.00 0.00 57.88 56.50 1q7i h LEU 31 Cb 0.00 -0.18 -0.28 0.00 -0.00 0.00 0.00 40.66 40.20 1q7i h LEU 31 CO 0.00 1.12 0.90 0.00 -0.00 0.00 0.00 178.44 180.46 1q7i n GLU 34 N 4.39 1.99 -1.56 0.00 1.02 0.49 -4.68 120.64 122.29 1q7i n GLU 34 Ca -0.23 0.00 -0.14 0.00 -0.02 0.00 0.00 57.16 56.77 1q7i n GLU 34 Cb 0.51 0.00 -0.08 0.00 -0.02 0.00 0.00 31.44 31.85 1q7i n GLU 34 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1q7i n GLN 35 N 0.00 0.50 -3.53 3.49 1.13 -1.26 -2.81 117.38 114.90 1q7i n GLN 35 Ca 0.00 -0.86 -0.19 0.00 -1.94 0.00 0.00 57.00 54.01 1q7i n GLN 35 Cb 0.00 -3.56 0.07 0.00 0.11 0.00 0.00 30.24 26.87 1q7i n GLN 35 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1q7i s LYS 37 N -5.68 1.20 -0.28 0.00 1.02 -1.12 -3.38 119.74 111.50 1q7i s LYS 37 Ca 0.11 -0.41 -0.29 0.00 0.02 0.00 0.00 55.97 55.40 1q7i s LYS 37 Cb -0.05 0.56 0.01 0.00 -0.52 0.00 0.00 37.83 37.83 1q7i s LYS 37 CO 0.75 -0.52 1.05 -0.06 -0.92 0.00 0.00 175.35 175.65 1q7i s PHE 38 N -3.55 3.24 1.33 3.18 0.08 -1.26 -0.38 117.98 120.62 1q7i s PHE 38 Ca 0.01 1.31 -0.21 0.00 0.12 0.00 0.00 56.93 58.16 1q7i s PHE 38 Cb -0.01 -3.49 0.33 0.00 -0.57 0.00 0.00 43.02 39.28 1q7i s PHE 38 CO -0.11 -0.63 0.73 0.43 -0.10 0.00 0.00 175.22 175.54 1q7i n SER 39 N 6.60 -3.88 -4.85 1.36 7.64 -0.40 -4.73 113.62 115.36 1q7i n SER 39 Ca 0.12 -0.74 -0.35 0.00 1.01 0.00 0.00 58.87 58.90 1q7i n SER 39 Cb 0.47 -0.92 -0.06 0.00 -1.01 0.00 0.00 64.21 62.69 1q7i n SER 39 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1q7i s ARG 40 N -4.60 3.88 0.26 1.43 1.70 -1.26 -4.27 118.95 116.09 1q7i s ARG 40 Ca 0.57 0.35 -0.04 0.00 -0.47 0.00 0.00 55.73 56.14 1q7i s ARG 40 Cb -0.10 -2.96 0.06 0.00 -0.57 0.00 0.00 34.95 31.37 1q7i s ARG 40 CO 0.48 0.52 0.12 0.00 -1.08 0.00 0.00 175.30 175.34 1q7i n ALA 41 N 0.86 -0.76 -1.87 7.88 0.00 -0.17 -3.01 120.51 123.45 1q7i n ALA 41 Ca -0.07 -0.22 -0.12 0.00 0.00 0.00 0.00 53.44 53.03 1q7i n ALA 41 Cb 0.52 -0.02 -0.03 0.00 0.00 0.00 0.00 19.45 19.92 1q7i n ALA 41 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1q7i n GLY 42 N -0.54 0.40 3.72 0.00 0.00 0.18 -4.73 105.19 104.21 1q7i n GLY 42 Ca 0.02 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.66 1q7i n GLY 42 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1q7i s LYS 43 N -3.98 4.35 -0.86 1.61 2.47 -1.16 -4.70 119.74 117.46 1q7i s LYS 43 Ca 0.00 0.52 -0.25 0.00 -1.56 0.00 0.00 55.97 54.68 1q7i s LYS 43 Cb 0.00 -3.45 0.02 0.00 -1.46 0.00 0.00 37.83 32.95 1q7i s LYS 43 CO 0.00 0.12 1.50 -1.50 0.16 0.00 0.00 175.35 175.63 1q7i s ILE 44 N 0.73 3.73 -0.37 5.43 1.10 -1.25 0.03 121.20 130.60 1q7i s ILE 44 Ca 0.28 -0.20 0.23 0.00 -0.51 0.00 0.00 60.65 60.45 1q7i s ILE 44 Cb -0.16 -4.76 0.22 0.00 0.15 0.00 0.00 42.46 37.92 1q7i s ILE 44 CO 0.11 -1.68 1.41 0.00 -2.11 0.00 0.00 174.94 172.68 1q7i s ARG 46 N -3.26 0.49 0.69 0.00 6.06 -1.25 -5.01 118.95 116.66 1q7i s ARG 46 Ca 0.04 1.05 -0.15 0.00 -2.50 0.00 0.00 55.73 54.18 1q7i s ARG 46 Cb 0.07 0.45 0.02 0.00 0.06 0.00 0.00 34.95 35.54 1q7i s ARG 46 CO 0.71 -0.14 1.14 -1.50 -2.50 0.00 0.00 175.30 173.02 1q7i s ILE 47 N 2.21 2.90 0.00 4.11 1.10 -1.26 -1.92 121.20 128.34 1q7i s ILE 47 Ca -0.06 0.42 0.00 0.00 -0.51 0.00 0.00 60.65 60.49 1q7i s ILE 47 Cb -0.07 -2.94 0.00 0.00 0.15 0.00 0.00 42.46 39.60 1q7i s ILE 47 CO -0.18 -0.26 0.00 0.00 -2.11 0.00 0.00 174.94 172.39 1q7i n ALA 48 N -2.59 0.00 0.08 1.50 0.00 -1.26 -4.78 120.51 113.45 1q7i n ALA 48 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.55 1q7i n ALA 48 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.96 1q7i n ALA 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1q7i n ARG 49 N -0.31 0.00 0.00 0.00 5.12 -1.26 -4.80 116.66 115.42 1q7i n ARG 49 Ca 0.00 0.00 0.10 0.00 -1.93 0.00 0.00 57.85 56.02 1q7i n ARG 49 Cb 0.00 -0.06 0.60 0.00 -1.16 0.00 0.00 32.46 31.84 1q7i n ARG 49 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1q7i n GLY 50 N 1.72 -0.72 1.06 -0.13 0.00 -1.26 -4.93 105.19 100.93 1q7i n GLY 50 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.89 1q7i n GLY 50 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1q7i n ASP 51 N -0.94 -1.86 0.00 1.61 2.03 -1.26 -5.12 116.55 111.02 1q7i n ASP 51 Ca 0.15 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.46 1q7i n ASP 51 Cb 0.07 -0.93 0.00 0.00 -0.72 0.00 0.00 41.12 39.54 1q7i n ASP 51 CO 0.00 0.00 0.00 -2.67 -1.92 0.00 0.00 177.20 172.61 1q7i n TRP 52 N 0.17 0.00 -1.65 -0.67 2.14 -1.26 -5.09 117.44 111.08 1q7i n TRP 52 Ca 0.00 0.00 -0.45 0.00 2.07 0.00 0.00 57.50 59.12 1q7i n TRP 52 Cb 0.00 0.00 -0.04 0.00 -0.81 0.00 0.00 31.31 30.46 1q7i n TRP 52 CO 0.00 0.00 0.00 0.09 2.07 0.00 0.00 177.69 179.85 1q7i n ASN 53 N 0.32 3.75 -3.25 -0.67 4.13 -1.26 -4.80 115.26 113.47 1q7i n ASN 53 Ca 0.00 0.82 -0.28 0.00 1.68 0.00 0.00 54.58 56.80 1q7i n ASN 53 Cb 0.00 -1.47 0.26 0.00 -1.54 0.00 0.00 39.78 37.03 1q7i n ASN 53 CO 0.00 0.00 0.00 -0.90 0.28 0.00 0.00 177.26 176.64 1q7i n ASP 54 N 7.85 -3.60 -4.61 6.41 5.68 -1.26 -4.78 116.55 122.24 1q7i n ASP 54 Ca 0.23 -0.86 -0.41 0.00 -0.50 0.00 0.00 54.79 53.25 1q7i n ASP 54 Cb 0.37 -0.91 -0.07 0.00 -1.14 0.00 0.00 41.12 39.37 1q7i n ASP 54 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1q7i s ASP 55 N -3.25 6.52 0.09 -1.12 -1.08 -0.81 -4.92 116.67 112.11 1q7i s ASP 55 Ca 0.62 0.52 0.03 0.00 -0.52 0.00 0.00 52.55 53.20 1q7i s ASP 55 Cb -0.10 -2.33 -0.04 0.00 -1.46 0.00 0.00 42.92 38.99 1q7i s ASP 55 CO 0.51 -0.43 0.10 -0.13 0.52 0.00 0.00 175.17 175.73 1q7i s ARG 56 N 2.56 2.93 0.47 4.34 1.81 -1.25 -1.64 118.95 128.18 1q7i s ARG 56 Ca 0.25 -0.69 0.08 0.00 -1.72 0.00 0.00 55.73 53.65 1q7i s ARG 56 Cb -0.15 -2.75 0.02 0.00 -0.45 0.00 0.00 34.95 31.62 1q7i s ARG 56 CO 0.11 0.56 0.51 0.00 -0.68 0.00 0.00 175.30 175.79 1q7i n THR 58 N -1.79 0.00 0.46 0.00 -2.24 -1.26 0.51 114.28 109.97 1q7i n THR 58 Ca 0.06 -0.50 0.10 0.00 -2.27 0.00 0.00 64.05 61.45 1q7i n THR 58 Cb 0.62 -1.38 0.27 0.00 -2.10 0.00 0.00 70.33 67.74 1q7i n THR 58 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1q7i n GLY 59 N 2.20 1.38 0.47 3.38 0.00 -1.26 -1.00 105.19 110.36 1q7i n GLY 59 Ca 0.06 -0.62 0.00 0.00 0.00 0.00 0.00 46.02 45.46 1q7i n GLY 59 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1q7i n GLN 60 N 1.10 0.00 -4.08 1.61 1.13 -1.26 -4.68 117.38 111.20 1q7i n GLN 60 Ca 0.19 -0.77 -0.30 0.00 -1.94 0.00 0.00 57.00 54.17 1q7i n GLN 60 Cb 0.49 -0.40 -0.07 0.00 0.11 0.00 0.00 30.24 30.37 1q7i n GLN 60 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 1q7i s SER 61 N -0.75 5.36 -0.07 1.08 0.15 -1.26 -4.99 113.70 113.22 1q7i s SER 61 Ca 0.00 -0.08 0.10 0.00 0.70 0.00 0.00 55.95 56.67 1q7i s SER 61 Cb 0.00 -1.38 -0.15 0.00 -1.71 0.00 0.00 66.02 62.78 1q7i s SER 61 CO 0.00 0.16 0.12 0.00 1.20 0.00 0.00 173.24 174.72 1q7i n ALA 62 N 0.41 1.99 -2.23 5.45 0.00 -1.26 -4.31 120.51 120.57 1q7i n ALA 62 Ca -0.09 -0.54 -0.22 0.00 0.00 0.00 0.00 53.44 52.59 1q7i n ALA 62 Cb 0.52 -0.13 -0.01 0.00 0.00 0.00 0.00 19.45 19.83 1q7i n ALA 62 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1q7i s ASP 63 N -3.93 4.97 -0.08 0.00 1.01 -1.26 0.53 116.67 117.91 1q7i s ASP 63 Ca -0.05 -0.88 0.03 0.00 0.71 0.00 0.00 52.55 52.36 1q7i s ASP 63 Cb 0.05 -0.17 0.01 0.00 1.01 0.00 0.00 42.92 43.82 1q7i s ASP 63 CO 0.45 -0.89 -0.18 0.00 0.21 0.00 0.00 175.17 174.75 1q7i s PRO 65 N 0.51 4.41 -0.86 0.00 0.04 -1.26 -4.95 135.00 132.88 1q7i s PRO 65 Ca -0.17 1.40 -0.25 0.00 0.04 0.00 0.00 61.00 62.02 1q7i s PRO 65 Cb -0.17 -3.55 -0.07 0.00 0.04 0.00 0.00 34.50 30.74 1q7i s PRO 65 CO 0.06 -0.35 2.09 1.03 0.04 0.00 0.00 177.00 179.87 1q7i s ARG 66 N 2.12 2.26 0.61 4.56 0.52 -1.26 -4.74 118.95 123.03 1q7i s ARG 66 Ca 0.48 -0.03 0.38 0.00 -0.52 0.00 0.00 55.73 56.04 1q7i s ARG 66 Cb -0.18 -4.97 1.99 0.00 0.52 0.00 0.00 34.95 32.31 1q7i s ARG 66 CO 0.17 -3.70 2.24 -0.92 0.02 0.00 0.00 175.30 173.11 1q7i h TYR 67 N 11.80 0.00 0.00 -0.53 5.03 -1.98 -3.54 116.97 127.75 1q7i h TYR 67 Ca 0.06 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.37 1q7i h TYR 67 Cb 1.01 0.00 0.00 0.00 1.55 0.00 0.00 36.73 39.29 1q7i h TYR 67 CO 1.20 0.02 0.00 1.58 -1.32 0.00 0.00 178.16 179.64